[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone

C24H39N7O — CID 53165655

IUPAC[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
SMILESCN1CCC(N2CCN(C(=O)C3CCN(c4cncnc4N4CCCC4)CC3)CC2)CC1
InChIInChI=1S/C24H39N7O/c1-27-10-6-21(7-11-27)28-14-16-31(17-15-28)24(32)20-4-12-29(13-5-20)22-18-25-19-26-23(22)30-8-2-3-9-30/h18-21H,2-17H2,1H3
InChIKeySEUWEABFIZMRMC-UHFFFAOYSA-N
MW441.62 g/mol
LogP1.53
Rot. Bonds4

About [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone

[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone (PubChem CID 53165655) has the molecular formula C24H39N7O and a molecular weight of 441.62 g/mol. Its IUPAC name is [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
PubChem CID53165655
Molecular FormulaC24H39N7O
Molecular Weight441.62 g/mol
Exact Mass441.32
IUPAC Name[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
SMILESCN1CCC(N2CCN(C(=O)C3CCN(c4cncnc4N4CCCC4)CC3)CC2)CC1
InChIInChI=1S/C24H39N7O/c1-27-10-6-21(7-11-27)28-14-16-31(17-15-28)24(32)20-4-12-29(13-5-20)22-18-25-19-26-23(22)30-8-2-3-9-30/h18-21H,2-17H2,1H3
InChIKeySEUWEABFIZMRMC-UHFFFAOYSA-N
XLogP1.53
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

morpholin-4-yl-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165660
[1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 140653092
N-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165881
(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165758
N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165628
N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165875
(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 169029279
N-benzyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165874
N-(3-methoxypropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165697
ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
CID 176568951
(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone
CID 53166142
N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165885

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone (CID 53165655) is [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone is CN1CCC(N2CCN(C(=O)C3CCN(c4cncnc4N4CCCC4)CC3)CC2)CC1.
What is the InChIKey of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The InChIKey is SEUWEABFIZMRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N7O/c1-27-10-6-21(7-11-27)28-14-16-31(17-15-28)24(32)20-4-12-29(13-5-20)22-18-25-19-26-23(22)30-8-2-3-9-30/h18-21H,2-17H2,1H3.
What are the key properties of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone has a molecular weight of 441.62 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53165655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).